SCHEMBL555692

SCHEMBL555692

C[Si](C)(C)CCOCn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.60
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
BRD2 P25440 1/20 0.50
BRD3 Q15059 1/20 0.50
BRDT Q58F21 1/20 0.50
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
PDE4A P27815 2/20 0.46
ADORA2A P29274 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
PARN O95453 1/20 0.45
CNOT7 Q9UIV1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ADORA2B P29275 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27583099 0.90 KDM4E (0.56) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL22800909 0.87 BRD4 (0.47) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL16058255 0.85 CNOT7 (0.58) BRD4KMT2APOLBPARNCNOT7
SCHEMBL555843 0.85 BRD4 (0.45) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL555209 0.82 PDE1A (0.64) MEN1KMT2ALMNAPOLBMAPK1
SCHEMBL556233 0.81 BRD4 (0.82) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL22105714 0.81 PDE4A (0.55) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL16027883 0.81 KDM4E (0.52) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL6722467 0.81 PDE4A (0.60) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL554932 0.81 BRD4 (0.81) BRD4MEN1KMT2ABRD2BRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 US disclosed
EP-4233871-A2 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Eli Lilly and Company (US) 2023-08-30 EP disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-11161849-B2 Inhibiting the transient receptor potential al ion channel ELI LILLY AND COMPANY (US) 2021-11-02 US disclosed
US-20200392136-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2020-12-17 US disclosed
CN-107082782-B Substituted xanthines and methods of use thereof 海德拉生物科学有限责任公司 2020-03-20 CN disclosed
EP-1953162-A1 Xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
EP-1757606-A1 Xanthinderivatives, preparation thereof and their use as medical agents Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-02-28 EP disclosed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP disclosed
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS HIMMELSBACH FRANK 2006-11-02 US disclosed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US disclosed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US disclosed
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 EP disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US disclosed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BRD4 3145/4885MEN1 3272/4885KMT2A 3433/4885
US-11161849-B2 Inhibiting the transient receptor potential al ion channel TRPV1, TRPA1, TRPV2 BRD4 3723/4885MEN1 4734/4885KMT2A 3727/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BRD4 3056/4885MEN1 2867/4885KMT2A 3439/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 BRD4 3056/4885MEN1 2867/4885KMT2A 3439/4885
US-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 BRD4 3072/4885MEN1 2331/4885KMT2A 4201/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 BRD4 3072/4885MEN1 2331/4885KMT2A 4201/4885
US-20200392136-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 BRD4 3382/4885MEN1 4518/4885KMT2A 4009/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 BRD4 3072/4885MEN1 2331/4885KMT2A 4201/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BRD4 3145/4885MEN1 3272/4885KMT2A 3433/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 BRD4 3072/4885MEN1 2331/4885KMT2A 4201/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 BRD4 3499/4885MEN1 4235/4885KMT2A 3251/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.